2-[(1-methylimidazol-2-yl)-pentan-3-ylamino]ethanol

C11H21N3O — CID 62131662

IUPAC2-[(1-methylimidazol-2-yl)-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)c1nccn1C
InChIInChI=1S/C11H21N3O/c1-4-10(5-2)14(8-9-15)11-12-6-7-13(11)3/h6-7,10,15H,4-5,8-9H2,1-3H3
InChIKeyXRYVLESYIYQZRJ-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.41
Rot. Bonds6

About 2-[(1-methylimidazol-2-yl)-pentan-3-ylamino]ethanol

2-[(1-methylimidazol-2-yl)-pentan-3-ylamino]ethanol (PubChem CID 62131662) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-[(1-methylimidazol-2-yl)-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[(1-methylimidazol-2-yl)-pentan-3-ylamino]ethanol
PubChem CID62131662
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-[(1-methylimidazol-2-yl)-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)c1nccn1C
InChIInChI=1S/C11H21N3O/c1-4-10(5-2)14(8-9-15)11-12-6-7-13(11)3/h6-7,10,15H,4-5,8-9H2,1-3H3
InChIKeyXRYVLESYIYQZRJ-UHFFFAOYSA-N
XLogP1.41
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butan-2-yl-(1-methylimidazol-2-yl)amino]acetic acid
CID 62131479
3-[ethyl-(1-methylimidazol-2-yl)amino]butanoic acid
CID 62827444
2-[(5-bromopyrimidin-2-yl)-pentan-3-ylamino]ethanol
CID 55251383
N-(3-chloropropyl)-1-methyl-N-propan-2-ylimidazol-2-amine
CID 63388587
N,N-diethyl-1-methylimidazol-2-amine
CID 130557690
2-[[2-(dimethylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 64829120
2-[(4-amino-1-methylpyrazol-3-yl)-pentan-3-ylamino]ethanol
CID 103078277
2-[(6-methylsulfanylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 106973440
2-[(1-ethylimidazol-2-yl)methyl-pentan-3-ylamino]ethanol
CID 62735874
2-[(6-ethyl-5-fluoropyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 114045772
N'-hydroxy-3-[(1-methylimidazol-2-yl)-propan-2-ylamino]propanimidamide
CID 76936484
3-[2-hydroxyethyl(methyl)amino]-1-methylpyrazin-2-one
CID 62940803

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylimidazol-2-yl)-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[(1-methylimidazol-2-yl)-pentan-3-ylamino]ethanol (CID 62131662) is 2-[(1-methylimidazol-2-yl)-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[(1-methylimidazol-2-yl)-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[(1-methylimidazol-2-yl)-pentan-3-ylamino]ethanol is CCC(CC)N(CCO)c1nccn1C.
What is the InChIKey of 2-[(1-methylimidazol-2-yl)-pentan-3-ylamino]ethanol?
The InChIKey is XRYVLESYIYQZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-10(5-2)14(8-9-15)11-12-6-7-13(11)3/h6-7,10,15H,4-5,8-9H2,1-3H3.
What are the key properties of 2-[(1-methylimidazol-2-yl)-pentan-3-ylamino]ethanol?
2-[(1-methylimidazol-2-yl)-pentan-3-ylamino]ethanol has a molecular weight of 211.31 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylimidazol-2-yl)-pentan-3-ylamino]ethanol is sourced from PubChem (CID 62131662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).